Dezocine

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Systematic / IUPAC Name: (1R,9S,15S)-15-Amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol

ID: Reference7263

Other Names: Dezocinum;
(-)-13β-Amino-5,6,7,8,9,10,11α,12-octahydro-5α-methyl-5,11-methanobenzocyclodecen-3-ol;
(5R,11S,13S)-13-Amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzo[10]annulen-3-ol;
(5R,11S,13S)-13-Amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzocyclodecen-3-ol

Formula: C16H23NO

Class: Therapeutics/Prescription Drugs

Spectral Data

Dezocine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/16/2018 9:46:25 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
InChI Key VTMVHDZWSFQSQP-VBNZEHGJSA-N
Canonical SMILES CC12CCCCCC(C1N)CC3=C2C=C(C=C3)O
CAS 53648558
Splash
Other Names Dezocinum;
(-)-13β-Amino-5,6,7,8,9,10,11α,12-octahydro-5α-methyl-5,11-methanobenzocyclodecen-3-ol;
(5R,11S,13S)-13-Amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzo[10]annulen-3-ol;
(5R,11S,13S)-13-Amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzocyclodecen-3-ol

In Other Databases

DrugBank DB01209
ChEMBL CHEMBL1685
Wikipedia Dezocine
ChEBI CHEBI:4474
HMDb HMDB15340
KEGG D00838; C08010
PubChem 3033053
ChemSpider 2297867